2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid

C10H15N3O2S — CID 63168514

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCN(C)C1CCN(c2ncc(C(=O)O)s2)C1
InChIInChI=1S/C10H15N3O2S/c1-12(2)7-3-4-13(6-7)10-11-5-8(16-10)9(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyLMAIKPHNWHZZQD-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.98
Rot. Bonds3

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid

2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 63168514) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID63168514
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCN(C)C1CCN(c2ncc(C(=O)O)s2)C1
InChIInChI=1S/C10H15N3O2S/c1-12(2)7-3-4-13(6-7)10-11-5-8(16-10)9(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyLMAIKPHNWHZZQD-UHFFFAOYSA-N
XLogP0.98
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 63168514) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid is CN(C)C1CCN(c2ncc(C(=O)O)s2)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LMAIKPHNWHZZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-12(2)7-3-4-13(6-7)10-11-5-8(16-10)9(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63168514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).